N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide

C24H34FN3O3 — CID 25206710

IUPACN-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C24H34FN3O3/c1-30-15-11-23(29)26-20-5-2-17(3-6-20)8-12-28-13-9-18(10-14-28)24-21-16-19(25)4-7-22(21)31-27-24/h4,7,16-18,20H,2-3,5-6,8-15H2,1H3,(H,26,29)
InChIKeyHZDFSRLOPVRUAU-UHFFFAOYSA-N
MW431.55 g/mol
LogP4.25
Rot. Bonds8

About N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide

N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide (PubChem CID 25206710) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
PubChem CID25206710
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC NameN-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C24H34FN3O3/c1-30-15-11-23(29)26-20-5-2-17(3-6-20)8-12-28-13-9-18(10-14-28)24-21-16-19(25)4-7-22(21)31-27-24/h4,7,16-18,20H,2-3,5-6,8-15H2,1H3,(H,26,29)
InChIKeyHZDFSRLOPVRUAU-UHFFFAOYSA-N
XLogP4.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide with MolForge

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Related Compounds

N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
CID 25205584
2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 25206541
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide
CID 25205249
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3,3-dimethoxypropanamide
CID 45110156
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide
CID 70905295
N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 25206707
2-cyclohexyl-N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide;propan-2-ol
CID 143958909
4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 25206209
1-[4-[3-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 10320252
5-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 140972227
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(4S)-2,2,4-trimethyloxan-4-yl]acetamide
CID 45110790
2-[(4S)-2,2-dimethyloxan-4-yl]-N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 45111950

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The IUPAC name of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide (CID 25206710) is N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide is COCCC(=O)NC1CCC(CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The InChIKey is HZDFSRLOPVRUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c1-30-15-11-23(29)26-20-5-2-17(3-6-20)8-12-28-13-9-18(10-14-28)24-21-16-19(25)4-7-22(21)31-27-24/h4,7,16-18,20H,2-3,5-6,8-15H2,1H3,(H,26,29).
What are the key properties of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide has a molecular weight of 431.55 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide is sourced from PubChem (CID 25206710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).